C060-0051 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]acetamide

C060-0051 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]acetamide
C060-0051 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0051
2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C060-0051

Molecular Formula

C20H28N4O3S (C20 H28 N4 O3 S)

Compound Name

2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]acetamide

IUPAC name

2-{56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]acetamide

SMILES

CC(CC1)CCN1C(CCCNC(CN(C=Nc1c2c(C)c(C)s1)C2=O)=O)=O

InChI

InChI=1S/C20H28N4O3S/c1-13-6-9-23(10-7-13)17(26)5-4-8-21-16(25)11-24-12-22-19-18(20(24)27)14(2)15(3)28-19/h12-13H,4-11H2,1-3H3,(H,21,25)

InChI Key

BSRGSHNWVXVQAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.250

Distribution Coefficient, logD

1.250

Water Solubility, LogSw

-1.96

Polar Surface Area

66.947

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C060-0051 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C060-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0051?
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What is the minimum amount of C060-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0051
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C060-0051 available by request